SCHEMBL8089423

SCHEMBL8089423

CC(=O)Nc1cc2c(cc1[N+](=O)O)OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 3/20 0.40
MTNR1B P49286 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CASP1 P29466 1/20 0.39
ACACB O00763 2/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2247143 0.88 MAPT (0.46) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL30860757 0.82 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL2241580 0.80 MAPT (0.44) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL29739434 0.80 MAPT (0.44) KDM4EHSD17B10ALDH1A1ALOX15NPC1
Carbamic Acid SCHEMBL26633282 0.79 MAPT (0.41) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL8084394 0.78 KDM4E (0.51) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL12365761 0.76 KDM4E (0.46) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL14141980 0.72 ALDH1A1 (0.59) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL26133140 0.71 KDM4E (0.47) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL10843250 0.70 ALDH1A1 (0.52) KDM4EHSD17B10ALDH1A1ALOX15NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed